4-fluoro-2-methyl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline

C15H19FN2 — CID 55080855

IUPAC4-fluoro-2-methyl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline
SMILESCc1cc(F)ccc1NCc1cc(C)n(C)c1C
InChIInChI=1S/C15H19FN2/c1-10-7-14(16)5-6-15(10)17-9-13-8-11(2)18(4)12(13)3/h5-8,17H,9H2,1-4H3
InChIKeyILMIQMWLAJYLCG-UHFFFAOYSA-N
MW246.33 g/mol
LogP3.70
Rot. Bonds3

About 4-fluoro-2-methyl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline

4-fluoro-2-methyl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline (PubChem CID 55080855) has the molecular formula C15H19FN2 and a molecular weight of 246.33 g/mol. Its IUPAC name is 4-fluoro-2-methyl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline.

Molecular Properties

Compound Name4-fluoro-2-methyl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline
PubChem CID55080855
Molecular FormulaC15H19FN2
Molecular Weight246.33 g/mol
Exact Mass246.15
IUPAC Name4-fluoro-2-methyl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline
SMILESCc1cc(F)ccc1NCc1cc(C)n(C)c1C
InChIInChI=1S/C15H19FN2/c1-10-7-14(16)5-6-15(10)17-9-13-8-11(2)18(4)12(13)3/h5-8,17H,9H2,1-4H3
InChIKeyILMIQMWLAJYLCG-UHFFFAOYSA-N
XLogP3.70
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-2-iodo-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline
CID 79769306
2-methyl-4-propan-2-yloxy-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline
CID 62474227
2,3,5-trifluoro-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline
CID 55118875
3-chloro-2-fluoro-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline
CID 62474567
2,4,6-trimethyl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline
CID 62474954
2,4-difluoro-5-[(1,2,5-trimethylpyrrol-3-yl)methylamino]benzamide
CID 62472762
N-[(4-fluoro-2-methylphenyl)methyl]-2-methylaniline
CID 62125415
4-bromo-N-[(5-fluoro-2-methylphenyl)methyl]-2-methylaniline
CID 105370653
N-[4-methyl-3-[(1,2,5-trimethylpyrrol-3-yl)methylamino]phenyl]acetamide
CID 62475308
3-bromo-4-[(1,2,5-trimethylpyrrol-3-yl)methylamino]benzonitrile
CID 62473676
2-chloro-4,6-difluoro-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline
CID 83081475
2-(methoxymethyl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline
CID 62473668

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline?
The IUPAC name of 4-fluoro-2-methyl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline (CID 55080855) is 4-fluoro-2-methyl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline.
What is the SMILES notation for 4-fluoro-2-methyl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline?
The canonical SMILES for 4-fluoro-2-methyl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline is Cc1cc(F)ccc1NCc1cc(C)n(C)c1C.
What is the InChIKey of 4-fluoro-2-methyl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline?
The InChIKey is ILMIQMWLAJYLCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2/c1-10-7-14(16)5-6-15(10)17-9-13-8-11(2)18(4)12(13)3/h5-8,17H,9H2,1-4H3.
What are the key properties of 4-fluoro-2-methyl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline?
4-fluoro-2-methyl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline has a molecular weight of 246.33 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline is sourced from PubChem (CID 55080855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).